6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide

C14H14Cl2N2O3 — CID 127042487

IUPAC6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-18(2)4-3-17-13(19)10-6-8-5-9(15)7-11(16)12(8)21-14(10)20/h5-7H,3-4H2,1-2H3,(H,17,19)
InChIKeyGWBAPBRZYPZSLC-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.39
Rot. Bonds4

About 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide

6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 127042487) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
PubChem CID127042487
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C14H14Cl2N2O3/c1-18(2)4-3-17-13(19)10-6-8-5-9(15)7-11(16)12(8)21-14(10)20/h5-7H,3-4H2,1-2H3,(H,17,19)
InChIKeyGWBAPBRZYPZSLC-UHFFFAOYSA-N
XLogP2.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(6,8-dichloro-2-oxochromen-3-yl)-N-(2-methoxyethyl)carboxamide
CID 2909035
6,8-Dichloro-3-(morpholine-4-carbonyl)-chromen-2-one
CID 649652
6,8-Dichloro-3-(2,6-dimethyl-morpholine-4-carbonyl)-chromen-2-one
CID 653775
6,8-dichloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide
CID 2294455
6,8-dichloro-N-[2-(4-morpholinyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 1143463
8-bromo-6-chloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide
CID 127042774
Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate
CID 357387
6-chloro-N-methyl-2-oxo-2H-chromene-3-carboxamide
CID 741766
6,8-Dichloro-3-(piperidylcarbonyl)chromen-2-one
CID 849949
(6-chloro-2-oxochromen-3-yl)-N-(2-cyclohex-1-enylethyl)carboxamide
CID 976554
Methyl 2-[(6-chloro-2-oxochromen-3-yl)carbonylamino]acetate
CID 1245881
6,8-dichloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 4072346

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide (CID 127042487) is 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide is CN(C)CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is GWBAPBRZYPZSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-18(2)4-3-17-13(19)10-6-8-5-9(15)7-11(16)12(8)21-14(10)20/h5-7H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide?
6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 127042487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).